1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one

C17H17NO6 — CID 19093029

IUPAC1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one
SMILESCOc1c(OC)c(OC)c2c(c1O)c(=O)c1cccc(O)c1n2C
InChIInChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3
InChIKeyQYPQTPVQPNLXHV-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.13
Rot. Bonds3

About 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one

1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one (PubChem CID 19093029) has the molecular formula C17H17NO6 and a molecular weight of 331.32 g/mol. Its IUPAC name is 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one.

Molecular Properties

Compound Name1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one
PubChem CID19093029
Molecular FormulaC17H17NO6
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one
SMILESCOc1c(OC)c(OC)c2c(c1O)c(=O)c1cccc(O)c1n2C
InChIInChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3
InChIKeyQYPQTPVQPNLXHV-UHFFFAOYSA-N
XLogP2.13
TPSA90.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one?
The IUPAC name of 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one (CID 19093029) is 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one.
What is the SMILES notation for 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one?
The canonical SMILES for 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one is COc1c(OC)c(OC)c2c(c1O)c(=O)c1cccc(O)c1n2C.
What is the InChIKey of 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one?
The InChIKey is QYPQTPVQPNLXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3.
What are the key properties of 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one?
1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one has a molecular weight of 331.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one is sourced from PubChem (CID 19093029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).